Structure Information
Structure

Compound Identification

SMILES

O=C(COC(=O)C1=CC=C(NS(=O)(=O)C2=CC3=C(OCCO3)C=C2)C=C1)NC1CCS(=O)(=O)C1

InChIKey

InChIKey=MVLCQYDOOSYOIX-UHFFFAOYSA-N

Formula

C21H22N2O9S2

Mass

510.53

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzoic acid esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzo-1,4-dioxane - Benzodioxane - Benzoate ester - Sulfanilide - Benzoyl - Alkyl aryl ether - Para-dioxin - Organosulfonic acid amide - Aminosulfonyl compound - Thiolane - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfone - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

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